3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide

C11H19NO2 — CID 58330227

IUPAC3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide
SMILESC=C(C)C(=O)CCNC(=O)CC(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)7-11(14)12-6-5-10(13)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,12,14)
InChIKeyVCVKSULPNRFOLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.68
Rot. Bonds6

About 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide

3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide (PubChem CID 58330227) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide
PubChem CID58330227
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide
SMILESC=C(C)C(=O)CCNC(=O)CC(C)C
InChIInChI=1S/C11H19NO2/c1-8(2)7-11(14)12-6-5-10(13)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,12,14)
InChIKeyVCVKSULPNRFOLA-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide (CID 58330227) is 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide is C=C(C)C(=O)CCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide?
The InChIKey is VCVKSULPNRFOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)7-11(14)12-6-5-10(13)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,12,14).
What are the key properties of 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide?
3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide has a molecular weight of 197.28 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-3-oxopent-4-enyl)butanamide is sourced from PubChem (CID 58330227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).